2-[3-cyano-4-[3-propylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-[3-propylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-propylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-[3-propylsulfonyl-5-(trifluoromethyl)phenyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-[3-propylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-[3-propylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Formula: C17H15F3N2O4S MolecularWeight: 400.37221

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C17H15F3N2O4S/c1-2-3-27(25,26)14-5-11(4-13(6-14)17(18,19)20)15-9-22(10-16(23)24)8-12(15)7-21/h4-6,8-9H,2-3,10H2,1H3,(H,23,24)